SCHEMBL6231782

SCHEMBL6231782

Cc1cnc(C(C)NCc2ccc(OCc3c(F)cccc3Cl)cc2Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
AR P10275 1/20 0.36
PPARD Q03181 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASR P41180 1/20 0.36
GUCY1B2 O75343 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6252802 0.91 GPBAR1 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6235441 0.91 GPBAR1 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6236773 0.84 CTSA (0.41) KMT2ASMN1; SMN2
SCHEMBL6236427 0.84 MAOB (0.46) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL6233372 0.81 SMN1; SMN2 (0.44) KMT2AMEN1SMN1; SMN2GUCY1B2GUCY1A2
SCHEMBL6231785 0.80 SMN1; SMN2 (0.39) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL6261792 0.78 PTPRZ1 (0.43) MAOBMAOAPPARDNR1H4LMNA
SCHEMBL6232917 0.78 PTPRZ1 (0.43) MAOBMAOAPPARDNR1H4LMNA
SCHEMBL6233373 0.77 CD274 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL6254676 0.76 PDCD1 (0.41) KMT2AMEN1SMN1; SMN2KDM4ERAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed